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Journal of Mathematical Chemistry

, Volume 56, Issue 8, pp 2512–2524 | Cite as

Partition of \(\pi \)-electrons among the faces of polyhedral carbon clusters

  • Tomislav Došlić
  • Ivana Zubac
Original Paper
  • 65 Downloads

Abstract

We apply the concepts of importance and redundancy to compute and analyze the partition of \(\pi \)-electrons among faces of actual and potential polyhedral carbon clusters. In particular, we present explicit formulas and investigate asymptotic behavior of total and average \(\pi \)-electron content of all faces of prisms and n-barrels. We also discuss the observed deviations from the uniform distribution and show that the patterns of net migration of \(\pi \)-electrons differ from those computed for narrow nanotubical fullerenes. Some possible directions of future work are also indicated.

Keywords

\(\pi \)-electron partition Polyhedral carbon cluster Prism graph Perfect matching 

Notes

Acknowledgements

Partial support of the Croatian Science Foundation via research project LightMol (Grant no. IP-2016-06-1142) is gratefully acknowledged by T. Došlić.

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Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Faculty of Civil EngineeringUniversity of ZagrebZagrebCroatia
  2. 2.Faculty of Mechanical Engineering and ComputingUniversity of MostarMostarBosnia and Herzegovina

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